SCHEMBL19083786

SCHEMBL19083786

CC1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.47
KMT2A Q03164 1/20 0.45
DCUN1D1 Q96GG9 2/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CNR2 P34972 1/20 0.43
IDO1 P14902 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
UBE2M P61081 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19083787 0.86 DCUN1D1 (0.43) ACHEDCUN1D1ALOX5APFEN1IDO1
SCHEMBL21075531 0.86 ALOX5AP (0.56) DCUN1D1ALOX5APFEN1CNR2IDO1
SCHEMBL20697685 0.85 ALOX5AP (0.44) DCUN1D1ALOX5APFEN1IDO1DRD2
SCHEMBL17428664 0.84 DCUN1D1 (0.46) ACHEKMT2ADCUN1D1CNR2HRH3
SCHEMBL23179558 0.82 ACHE (0.51) ACHEKMT2AHRH3DRD2DRD4
SCHEMBL18908954 0.78 SCN9A (0.43) ACHEKMT2ADCUN1D1CNR2HRH3
SCHEMBL14242820 0.77 HRH3 (0.67) ACHEHRH3ALDH1A1
Ammonia Solution, Strong SCHEMBL28813879 0.76 HRH3 (0.65) ACHEHRH3ALDH1A1
SCHEMBL14708571 0.75 KDM4E (0.68) ACHEKMT2ACNR2DRD4ALDH1A1
SCHEMBL12013928 0.75 ACHE (0.68) ACHEKMT2AHRH3DRD2DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ACHE 1652/4885KMT2A 1836/4885DCUN1D1 3112/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.